Gossyrubilone

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  • Identifiers

    CAS number
    69734-70-9

    Molecular formula
    C20H25NO4

    SMILES
    CC1=CC(=O)C2=C(C(=C(C(=C2C1=O)C(C)C)O)O)C=NCCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Spicy 39.3%
    Mint 30.77%
    Herbal 30.73%
    Woody 30.45%
    Odorless 30.27%
    Dry 26.66%
    Phenolic 26.26%
    Burnt 23.9%
    Cooling 23.85%
    Fruity 21.2%

     

    Flavor
    Bitter 76.26%
    Cedarleaf 20.49%
    Lovage 20.28%
    Odorless 19.91%
    Herbal 19.53%
    Parsley 19.39%
    Basil 18.92%
    Leaves 18.9%
    Nitrile 18.8%
    Bland 18.71%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.17 (weak base)

    Molecular weight
    343.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    924°C

    Flash point

    • 210.12 ˚C est.

  • Synonyms

    • Gossyrubilone
    • CHEBI:174631
    • DTXSID401116707
    • 6,7-dihydroxy-2-methyl-5-(3-methylbutyliminomethyl)-8-propan-2-ylnaphthalene-1,4-dione
    • 6,7-Dihydroxy-5-(isobutyliminomethyl)-8-isopropyl-2-methyl-1,4-naphthoquinone
    • 1,4-Naphthalenedione, 6,7-dihydroxy-2-methyl-5-[[(3-methylbutyl)imino]methyl]-8-(1-methylethyl)-
    • 6,7-Dihydroxy-2-methyl-5-[[(3-methylbutyl)imino]methyl]-8-(1-methylethyl)-1,4-naphthalenedione
    • 6,7-Dihydroxy-2-methyl-5-{[(3-methylbutyl)imino]methyl}-8-(propan-2-yl)naphthalene-1,4-dione
    • 69734-70-9
    • 69734-70-9

  • Applications

    Gossyrubilone (CAS 69734-70-9) may have multiple industrial applications, including as an odorant/fragrance component in perfumery, as an ingredient or additive in cosmetics and personal care, as a processing aid or stabilizer for coatings and inks and for polymer formulations, as a chemical intermediate in broader industrial manufacturing, and as a fragrance component in cleaning formulations and consumer products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 47.44
    methanol 41.85
    isopropanol 38.08
    water 0.02
    ethyl acetate 77.14
    n-propanol 56.67
    acetone 92.48
    n-butanol 53.35
    acetonitrile 40.66
    DMF 286.33
    toluene 87.65
    isobutanol 43.21
    1,4-dioxane 86.87
    methyl acetate 104.63
    THF 257.68
    2-butanone 135.87
    n-pentanol 47.76
    sec-butanol 55.32
    n-hexane 1.43
    ethylene glycol 10.04
    NMP 373.8
    cyclohexane 2.25
    DMSO 156.09
    n-butyl acetate 63.56
    n-octanol 15.56
    chloroform 195.48
    n-propyl acetate 53.5
    acetic acid 84.75
    dichloromethane 207.25
    cyclohexanone 178.4
    propylene glycol 24.84
    isopropyl acetate 54.46
    DMAc 306.03
    2-ethoxyethanol 79.88
    isopentanol 51.98
    n-heptane 0.77
    ethyl formate 45.8
    1,2-dichloroethane 148.15
    n-hexanol 46.91
    2-methoxyethanol 114.5
    isobutyl acetate 39.11
    tetrachloromethane 18.14
    n-pentyl acetate 49.68
    transcutol 101.71
    n-heptanol 25.47
    ethylbenzene 31.23
    MIBK 54.98
    2-propoxyethanol 106.8
    tert-butanol 44.15
    MTBE 38.62
    2-butoxyethanol 65.06
    propionic acid 69.23
    o-xylene 39.1
    formic acid 24.26
    diethyl ether 33.19
    m-xylene 43.14
    p-xylene 41.75
    chlorobenzene 92.94
    dimethyl carbonate 63.9
    n-octane 0.63
    formamide 49.96
    cyclopentanone 270.72
    2-pentanone 97.97
    anisole 60.14
    cyclopentyl methyl ether 92.27
    gamma-butyrolactone 259.55
    1-methoxy-2-propanol 103.11
    pyridine 212.07
    3-pentanone 70.84
    furfural 207.27
    n-dodecane 0.64
    diethylene glycol 71.92
    diisopropyl ether 9.94
    tert-amyl alcohol 56.6
    acetylacetone 100.59
    n-hexadecane 0.77
    acetophenone 82.09
    methyl propionate 103.62
    isopentyl acetate 63.86
    trichloroethylene 363.46
    n-nonanol 16.53
    cyclohexanol 63.45
    benzyl alcohol 86.41
    2-ethylhexanol 27.73
    isooctanol 21.93
    dipropyl ether 16.17
    1,2-dichlorobenzene 74.65
    ethyl lactate 42.47
    propylene carbonate 124.61
    n-methylformamide 98.28
    2-pentanol 37.62
    n-pentane 1.34
    1-propoxy-2-propanol 67.13
    1-methoxy-2-propyl acetate 80.22
    2-(2-methoxypropoxy) propanol 53.55
    mesitylene 17.91
    ε-caprolactone 166.77
    p-cymene 15.83
    epichlorohydrin 355.59
    1,1,1-trichloroethane 106.24
    2-aminoethanol 30.48
    morpholine-4-carbaldehyde 230.33
    sulfolane 316.18
    2,2,4-trimethylpentane 1.77
    2-methyltetrahydrofuran 156.21
    n-hexyl acetate 49.85
    isooctane 0.98
    2-(2-butoxyethoxy)ethanol 64.66
    sec-butyl acetate 43.33
    tert-butyl acetate 56.45
    decalin 2.96
    glycerin 39.63
    diglyme 103.37
    acrylic acid 70.45
    isopropyl myristate 16.54
    n-butyric acid 88.65
    acetyl acetate 48.9
    di(2-ethylhexyl) phthalate 29.27
    ethyl propionate 48.42
    nitromethane 135.24
    1,2-diethoxyethane 37.55
    benzonitrile 79.91
    trioctyl phosphate 19.41
    1-bromopropane 60.53
    gamma-valerolactone 286.31
    n-decanol 12.09
    triethyl phosphate 26.03
    4-methyl-2-pentanol 24.34
    propionitrile 50.63
    vinylene carbonate 112.01
    1,1,2-trichlorotrifluoroethane 190.92
    DMS 60.23
    cumene 19.76
    2-octanol 16.89
    2-hexanone 63.56
    octyl acetate 25.09
    limonene 18.42
    1,2-dimethoxyethane 96.6
    ethyl orthosilicate 24.29
    tributyl phosphate 20.97
    diacetone alcohol 85.76
    N,N-dimethylaniline 44.46
    acrylonitrile 80.71
    aniline 108.69
    1,3-propanediol 50.96
    bromobenzene 90.26
    dibromomethane 116.43
    1,1,2,2-tetrachloroethane 233.38
    2-methyl-cyclohexyl acetate 44.93
    tetrabutyl urea 29.16
    diisobutyl methanol 13.57
    2-phenylethanol 78.96
    styrene 39.63
    dioctyl adipate 31.05
    dimethyl sulfate 117.64
    ethyl butyrate 38.4
    methyl lactate 67.34
    butyl lactate 47.05
    diethyl carbonate 28.31
    propanediol butyl ether 51.54
    triethyl orthoformate 28.95
    p-tert-butyltoluene 14.86
    methyl 4-tert-butylbenzoate 57.92
    morpholine 146.72
    tert-butylamine 20.61
    n-dodecanol 8.4
    dimethoxymethane 117.13
    ethylene carbonate 82.2
    cyrene 92.68
    2-ethoxyethyl acetate 70.76
    2-ethylhexyl acetate 49.09
    1,2,4-trichlorobenzene 110.94
    4-methylpyridine 213.41
    dibutyl ether 11.64
    2,6-dimethyl-4-heptanol 13.57
    DEF 113.88
    dimethyl isosorbide 110.03
    tetrachloroethylene 119.45
    eugenol 63.94
    triacetin 51.66
    span 80 45.69
    1,4-butanediol 26.18
    1,1-dichloroethane 120.73
    2-methyl-1-pentanol 53.42
    methyl formate 75.41
    2-methyl-1-butanol 58.05
    n-decane 0.98
    butyronitrile 48.35
    3,7-dimethyl-1-octanol 18.98
    1-chlorooctane 8.57
    1-chlorotetradecane 3.61
    n-nonane 0.74
    undecane 0.78
    tert-butylcyclohexane 2.55
    cyclooctane 0.8
    cyclopentanol 79.36
    tetrahydropyran 97.69
    tert-amyl methyl ether 39.82
    2,5,8-trioxanonane 70.88
    1-hexene 11.42
    2-isopropoxyethanol 61.75
    2,2,2-trifluoroethanol 32.36
    methyl butyrate 65.5

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction